N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide

C22H29N3O3 — CID 94002339

IUPACN-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide
SMILESCCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cccc(COC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-25(6-2)22(27)24-20-12-10-18(11-13-20)16(3)23-21(26)19-9-7-8-17(14-19)15-28-4/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyOVIIDIVJKPYHJA-MRXNPFEDSA-N
MW383.49 g/mol
LogP4.20
Rot. Bonds8

About N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide

N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide (PubChem CID 94002339) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide
PubChem CID94002339
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide
SMILESCCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cccc(COC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-25(6-2)22(27)24-20-12-10-18(11-13-20)16(3)23-21(26)19-9-7-8-17(14-19)15-28-4/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyOVIIDIVJKPYHJA-MRXNPFEDSA-N
XLogP4.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
CID 87001432
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 31110060
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide (CID 94002339) is N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide is CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cccc(COC)c2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide?
The InChIKey is OVIIDIVJKPYHJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-25(6-2)22(27)24-20-12-10-18(11-13-20)16(3)23-21(26)19-9-7-8-17(14-19)15-28-4/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide?
N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 94002339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).